SCHEMBL29888201

SCHEMBL29888201

CC1(C(=O)NNC(=O)c2ccccc2Nc2ccc(C(F)(F)F)cc2)CCCNC1=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 10/20 0.42
▸ ABCG2 Q9UNQ0 1/20 0.40
▸ MAPK8 P45983 1/20 0.39
▸ AURKA O14965 1/20 0.37
▸ AURKB Q96GD4 1/20 0.37
▸ TAS2R14 Q9NYV8 1/20 0.37
▸ AKR1C3 P42330 1/20 0.37
▸ AKR1C2 P52895 1/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ THRB P10828 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ PTGS1 P23219 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23388810 1.00 RXFP1 (0.42) RXFP1ABCG2MAPK8AURKAAURKB
SCHEMBL22571385 0.94 RXFP1 (0.43) RXFP1ABCG2MAPK8AURKAAURKB
SCHEMBL23423242 0.87 LMNA (0.45) MEN1KMT2APTGS1
SCHEMBL23388931 0.83 MAPK8 (0.38) RXFP1ABCG2MAPK8AURKAAURKB
SCHEMBL23423434 0.81 LMNA (0.46) MEN1KMT2APTGS1
SCHEMBL30323324 0.81 TLR7 (0.43) RXFP1AURKAAURKB
SCHEMBL30323356 0.81 TLR7 (0.43) RXFP1AURKAAURKB
SCHEMBL22556300 0.79 RXFP1 (0.49) RXFP1ABCG2MAPK8TAS2R14AKR1C3
SCHEMBL22556551 0.79 RXFP1 (0.46) RXFP1ABCG2MAPK8TAS2R14AKR1C3
SCHEMBL22556353 0.78 RXFP1 (0.44) RXFP1ABCG2MAPK8TAS2R14AKR1C3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115279368-B Heteroaryl compounds 维瓦斯治疗公司 2024-05-24 — — CN disclosed
CN-115279368-A Heteroaryl compounds 维瓦斯治疗公司 2022-11-01 — — CN disclosed
EP-4061364-A1 HETEROARYL COMPOUNDS Vivace Therapeutics, Inc. (US) 2022-09-28 — — EP disclosed
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